1,3-Dichloro-4-fluorobenzene

Base Information

• Chemical Name: 1,3-Dichloro-4-fluorobenzene
• CAS No.: 1435-48-9
• Molecular Formula: C6H3Cl2F
• Molecular Weight: 164.994
• Hs Code.: 29039990
• European Community (EC) Number: 406-160-1,604-366-8
• DSSTox Substance ID: DTXSID30162443
• Nikkaji Number: J243.026F
• Wikidata: Q72466210
• ChEMBL ID: CHEMBL2263223
• Mol file: 1435-48-9.mol

Synonyms:1435-48-9;1,3-Dichloro-4-fluorobenzene;2,4-Dichloro-1-fluorobenzene;2,4-Dichlorofluorobenzene;Benzene, 2,4-dichloro-1-fluoro-;C6H3Cl2F;Benzene,2,4-dichloro-1-fluoro-;EC 406-160-1;dcfb;2,4-dichloro-1-fluoro-benzene;MFCD00000580;1,3-dichloro4-fluorobenzene;SCHEMBL530773;CHEMBL2263223;BDJZCCWUSOZUQG-UHFFFAOYSA-;AMY3836;DTXSID30162443;2,4-Dichloro-1-fluorobenzene #;BCP24451;2,4-Dichloro-1-fluorobenzene, 99%;AKOS005762927;CS-W010825;FS-4032;D2059;FT-0610058;EN300-21377;A808085;J-503892

Chemical Property of 1,3-Dichloro-4-fluorobenzene

Chemical Property:

• Appearance/Colour: Clear colourless to yellow liquid
• Vapor Pressure: 1.35mmHg at 25°C
• Melting Point: -23 °C
• Refractive Index: n20/D 1.525(lit.)
• Boiling Point: 178.2 °C at 760 mmHg
• Flash Point: 36.7 °C
• PSA: 0.00000
• Density: 1.403 g/cm³
• LogP: 3.13250
• Storage Temp.: Flammables area
• Water Solubility.: insoluble
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 163.9595836
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichlorofluorobenzene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi,N
• Hazard Codes: Xn,N,Xi
• Statements: 22-38-48/20/22-51/53-10-36/37/38
• Safety Statements: 36/37-61-16-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)F

Technology Process of 1,3-Dichloro-4-fluorobenzene

There total 17 articles about 1,3-Dichloro-4-fluorobenzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

2,4-Dichloroaniline (554-00-7,51908-09-9) → 1,3-dichloro-4-fluorobenzene (1435-48-9)

Guidance literature:

2,4-Dichloroaniline; With hydrogenchloride; fluoroboric acid; sodium nitrite; In water; at 25 ℃; for 0.00555556h;

In 1,2-dichloro-benzene; at 190 ℃; for 0.0166667h;

DOI:10.1016/j.tetlet.2012.12.084

Reference yield: 92.0%

1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 1,3-dichloro-4-fluorobenzene (1435-48-9)

Guidance literature:

With potassium fluoride; 5,11,17,23,29,35-hexakis(tert-butyl)-37,38,39,40,41-hexakis(hydroxy)calix[6]arene; In sulfolane; at 185 ℃; for 5h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube;

Reference yield: 91.7%

3-chloro-4-fluoronitrobenzene (350-30-1) → 1,3-dichloro-4-fluorobenzene (1435-48-9)

Guidance literature:

With chlorine; at 170 - 180 ℃; for 8h; Temperature;

upstream raw materials:

3-chloro-4-fluorophenylamine

2,4-Dinitrofluorobenzene

2,3-dichlorofluorobenzene

2,4-dichlorophenylboronic acid

Downstream raw materials:

trans-[(η5-C5Me5)Re(CO)2(C6H3ClF)Cl

N-[1-cyano-2-(2,4-dichlorophenoxy)-1-methylethyl]-4-(pentafluorothio)benzamide

1-(4-bromophenoxy)-2,4-dichlorobenzene

trimethylsilyl fluoride

Refernces

• 1、 -. "Preparation method for fluoroquinolones intermediate 2,4-dichloro-5-fluorobenzoyl chloride". Paragraph 0054; 0055; 0057; 0058; 0060; 0061. . Retrieved 2019/05/20.
• 2、 -. "Synthetic method of ciprofloxacin intermediate 2,4-dichlorofluorobenzene". Paragraph 0016-0036. . Retrieved 2018/11/26.